Geometry & MOs

Info

ID:	17368
PubChem CID:	494437
Reduced:	O3C14H26 (1)
Stoich.:	A3B14C26 (1)
Weight, g/mol:	242.188195
ΔH_f, kcal/mol:	-196.75
Dipole, Da:	3.58
IP(EA), eV:	-9.74(2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-hydroxypropan-2-yl)-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,8a-diol

Drug info:

PubChemData

Smile

CC12CCCC(C1(CC(CC2)C(C)(C)O)O)O

DOS

IR

Vibrations